LAMMPS (13 Apr 2017)
  using 1 OpenMP thread(s) per MPI task
# Si fcc phase

units		metal
boundary	p p p

atom_style	atomic
lattice		fcc 3.98
Lattice spacing in x,y,z = 3.98 3.98 3.98
region		box block 0 5 0 5 0 5
create_box		1 box
Created orthogonal box = (0 0 0) to (19.9 19.9 19.9)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 500 atoms

pair_style      meam/spline
pair_coeff      * * Si_1.meam.spline Si
Reading potential file Si_1.meam.spline with DATE: 2012-02-01
mass            * 28.085

velocity        all create 500.0 44226611

fix             1 all nvt temp 500.0 500.0 1.0

thermo          50
run             500
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 7 7 7
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 3.861 | 3.861 | 3.861 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          500    -1847.729            0   -1815.4786    1813162.7 
      50    1923.4262   -1940.0936            0   -1816.0311   -38700.835 
     100    2535.2542   -1982.6249            0   -1819.0989    10216.821 
     150    2592.8247   -1992.1569            0   -1824.9176    4839.3385 
     200    2484.7391   -1990.8452            0   -1830.5775    14040.141 
     250    2597.4401   -2003.1619            0    -1835.625    1261.5199 
     300    2513.0793    -2002.942            0   -1840.8463    6690.9815 
     350     2390.933   -2001.0761            0    -1846.859   -4880.1146 
     400    2269.0782   -1999.3441            0   -1852.9867   -4921.4391 
     450    2287.5096   -2006.8236            0   -1859.2774   -7313.6151 
     500    2303.0918   -2014.0693            0    -1865.518   -9995.1789 
Loop time of 1.46588 on 4 procs for 500 steps with 500 atoms

Performance: 29.470 ns/day, 0.814 hours/ns, 341.093 timesteps/s
99.4% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.4273     | 1.4292     | 1.432      |   0.1 | 97.50
Neigh   | 0.0068567  | 0.0070301  | 0.0073655  |   0.2 |  0.48
Comm    | 0.019111   | 0.022127   | 0.024148   |   1.2 |  1.51
Output  | 0.00023174 | 0.00024784 | 0.00029206 |   0.0 |  0.02
Modify  | 0.005043   | 0.0052016  | 0.0054417  |   0.2 |  0.35
Other   |            | 0.002066   |            |       |  0.14

Nlocal:    125 ave 131 max 118 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Nghost:    979.25 ave 986 max 975 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Neighs:    4541.75 ave 4712 max 4362 min
Histogram: 1 1 0 0 0 0 0 0 0 2
FullNghs:  9083.5 ave 9485 max 8601 min
Histogram: 1 0 0 1 0 0 0 0 1 1

Total # of neighbors = 36334
Ave neighs/atom = 72.668
Neighbor list builds = 14
Dangerous builds = 0

Total wall time: 0:00:01
